4-bromo-N-((pyridin-2-yl)methyl)aniline
Completing data — refresh the page later to see the latest
Basic information
- CAS
31309-57-6- Standard SMILES
Brc1ccc(NCc2ccccn2)cc1- InChIKey
VEBGCBOKYDSVHR-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2
- Average molar mass
- 263.13 g/mol
- Monoisotopic mass
- 262.01056
Names & identifiers
- Preferred name
- 4-bromo-N-((pyridin-2-yl)methyl)aniline
- IUPAC
- 4-bromo-N-(pyridin-2-ylmethyl)aniline
- English name
- 4-bromo-N-(pyridin-2-ylmethyl)aniline
- Molecular formula
- C12H11BrN2
- Molecular weight
- 263.13
Names & synonyms
31309-57-64-bromo-N-[(pyridin-2-yl)methyl]aniline4-bromo-N-((pyridin-2-yl)methyl)anilineRefChem:520407101-515-44-bromo-N-(pyridin-2-ylmethyl)anilineMFCD011297342-Pyridinemethanamine, N-(4-bromophenyl)-Oprea1_225675CHEMBL1192763GBA309574-bromo-N-(2-pyridylmethyl)aniline
Show more names
STK232815AKOS000240606BS-45016CS-0160796EN300-49932E74790Z334939830
Database identifiers
- CAS
31309-57-6- PubChem CID
- 743689
- ChEMBL
CHEMBL1192763- EC Number
- 101-515-4
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 363.2 · 363.2±27.0 °C(Predicted)
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.77 · 4.77±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…